SCHEMBL31133573

SCHEMBL31133573

Cn1c(=O)c(C#N)c(N2CCC(Oc3ccccc3OC(F)(F)F)CC2)c2nc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.46
▸ DGKA P23743 4/20 0.42
▸ DGKZ Q13574 4/20 0.42
▸ SCN9A Q15858 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ RBP4 P02753 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ GPR6 P46095 3/20 0.34
▸ DGKI O75912 1/20 0.33
▸ DGKG P49619 1/20 0.33
▸ DGKK Q5KSL6 1/20 0.33
▸ DGKB Q9Y6T7 1/20 0.33
▸ C5AR1 P21730 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23527152 1.00 SCD (0.46) SCDDGKADGKZSCN9APDE3B
SCHEMBL23526885 0.90 SCD (0.56) SCDDGKADGKZRBP4TTR
SCHEMBL31133663 0.90 SCD (0.56) SCDDGKADGKZRBP4TTR
SCHEMBL31133787 0.90 SCD (0.45) SCDDGKADGKZPDE10AGPR6
SCHEMBL23527026 0.90 SCD (0.45) SCDDGKADGKZPDE10AGPR6
SCHEMBL23526837 0.89 SCD (0.44) SCDDGKADGKZGPR6DGKI
SCHEMBL31133649 0.89 SCD (0.44) SCDDGKADGKZGPR6DGKI
SCHEMBL23526978 0.89 SCD (0.53) SCDDGKADGKZ
SCHEMBL31133806 0.89 SCD (0.53) SCDDGKADGKZ
SCHEMBL23527128 0.88 DGKA (0.43) SCDDGKADGKZSCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 — — EP claimed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 — — CN claimed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 — — CN disclosed
Send feedback